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3-(Chloromethyl)heptane

3-(Chloromethyl)heptane structure

CAS No:
123-04-6
Formula:
C8H17Cl
Chemical Name:
3-(Chloromethyl)heptane
Synonyms:
Heptane,3-(chloromethyl)-;3-(Chloromethyl)heptane;2-Ethylhexyl chloride;1-Chloro-2-ethylhexane;NSC 8883;128399-83-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colorless liquid.Insoluble in water. Combustible.

3-(Chloromethyl)heptane Basic Attributes

Molecular Weight：

148.674

Exact Mass：

148.67

EC Number：

204-594-4

NSC Number：

8883

HScode：

29049095

Characteristics

PSA：

XLogP3：

4.51

Appearance：

Clear, colorless liquid.

Density：

0.882

Melting Point：

-70 °C

Boiling Point：

172 °C

Flash Point：

60 °C

Refractive Index：

1.432-1.436

Water Solubility：

0.0503 g/L (20 ºC)

Storage Conditions：

Keep away from heat, sparks, and flame.

Vapor Pressure：

1.69mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

1993

hazard class code：

R36/37/38

safety instructions：

37/39-26-S37/39-S26

RTECS Number：

MI8760000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P302+P352, P303+P361+P353, P321, P332+P313, P333+P313, P362, P363, P370+P378, P391, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P302+P352, P303+P361+P353, P321, P332+P313, P333+P313, P362, P363, P370+P378, P391, P403+P235, and P501|Aggregated GHS information provided by 161 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(Chloromethyl)heptane Use and Manufacturing

Uses

Barchlor(R) 8I is used as chemical intermediate.

Manufacturing Info：

Heptane, 3-(chloromethyl)-: ACTIVE

Computed Properties

Molecular Weight:148.67
XLogP3:4.4
Rotatable Bond Count:5
Exact Mass:148.1018782
Monoisotopic Mass:148.1018782
Heavy Atom Count:9
Complexity:52.5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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